1-20 of 8432
Biomolecules
Close
Save search
Follow your search
Access your saved searches in your account
Close Modal
Sort by
Journal Articles

On the determinants of electron transfer reorganization energy in a cytochrome P450: cytochrome b5 complex. A combined quantum mechanics and molecular dynamics simulation study

Editor’s PickOpen Access
J. Teuffel, G. Mukherjee, S. B. Han, M. Elstner, R. C. Wade
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 195101 (2025)
https://doi.org/10.1063/5.0248701
Published: May 2025
View articletitled, On the determinants of electron transfer reorganization energy in a cytochrome P450: cytochrome b5 complex. A combined quantum mechanics and molecular dynamics simulation study
Open the PDF for On the determinants of electron transfer reorganization energy in a cytochrome P450: cytochrome b5 complex. A combined quantum mechanics and molecular dynamics simulation study in another window
Journal Articles

MDRefine : A Python package for refining molecular dynamics trajectories with experimental data

Open Access
Ivan Gilardoni, Valerio Piomponi, Thorben Fröhlking, Giovanni Bussi
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 192501 (2025)
https://doi.org/10.1063/5.0256841
Published: May 2025
View articletitled, MDRefine : A Python package for refining molecular dynamics trajectories with experimental data
Open the PDF for MDRefine : A Python package for refining molecular dynamics trajectories with experimental data in another window
Journal Articles

A phase-field model for solutions of DNA-made particles

Open Access
Marco Cappa, Francesco Sciortino, Lorenzo Rovigatti
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 194901 (2025)
https://doi.org/10.1063/5.0257265
Published: May 2025
View articletitled, A phase-field model for solutions of DNA-made particles
Open the PDF for A phase-field model for solutions of DNA-made particles in another window
Journal Articles

Why do histone monomethylation and dimethylation cause a significant difference in binding to LEDGF?

Available to Purchase
Hinako X. Suzuki, Hisashi Okumura, Satoru G. Itoh
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 185102 (2025)
https://doi.org/10.1063/5.0259337
Published: May 2025
View articletitled, Why do histone monomethylation and dimethylation cause a significant difference in binding to LEDGF?
Open the PDF for Why do histone monomethylation and dimethylation cause a significant difference in binding to LEDGF? in another window
Journal Articles

Phase behavior and dissociation kinetics of lamins in a polymer model of progeria

Available to Purchase
Hadiya Abdul Hameed, Jarosław Paturej, Aykut Erbaş
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 185101 (2025)
https://doi.org/10.1063/5.0265578
Published: May 2025
View articletitled, Phase behavior and dissociation kinetics of lamins in a polymer model of progeria
Open the PDF for Phase behavior and dissociation kinetics of lamins in a polymer model of progeria in another window
Journal Articles

Free energy profiles for chemical reactions in solution from high-dimensional neural network potentials: The case of the Strecker synthesis

Available to Purchase
Alea Miako Tokita, Timothée Devergne, A. Marco Saitta, Jörg Behler
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 174120 (2025)
https://doi.org/10.1063/5.0268948
Published: May 2025
View articletitled, Free energy profiles for chemical reactions in solution from high-dimensional neural network potentials: The case of the Strecker synthesis
Open the PDF for Free energy profiles for chemical reactions in solution from high-dimensional neural network potentials: The case of the Strecker synthesis in another window
Journal Articles

Low energy electron induced fragmentation of hot asparagine and aspartic acid molecules

Available to Purchase
Janina Kopyra, Aleksandr Bancer, Hassan Abdoul-Carime
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 174305 (2025)
https://doi.org/10.1063/5.0254082
Published: May 2025
View articletitled, Low energy electron induced fragmentation of hot asparagine and aspartic acid molecules
Open the PDF for Low energy electron induced fragmentation of hot asparagine and aspartic acid molecules in another window
Journal Articles

DNA relaxation dynamics in crowded environments: Influence of PEG molecular weight and viscosity

Available to Purchase
Yunosuke Fuji, Yota Nojiri, Yuuta Moriyama, Toshiyuki Mitsui
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 174901 (2025)
https://doi.org/10.1063/5.0257786
Published: May 2025
View articletitled, DNA relaxation dynamics in crowded environments: Influence of PEG molecular weight and viscosity
Open the PDF for DNA relaxation dynamics in crowded environments: Influence of PEG molecular weight and viscosity in another window
Journal Articles

Complete exciton Hamiltonian for photosynthetic pigment–protein complexes

Open Access
Austėja Mikalčiūtė, Darius Abramavičius
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 164109 (2025)
https://doi.org/10.1063/5.0258368
Published: April 2025
View articletitled, Complete exciton Hamiltonian for photosynthetic pigment–protein complexes
Open the PDF for Complete exciton Hamiltonian for photosynthetic pigment–protein complexes in another window
Journal Articles

Terahertz wave induces the structural and functional changes in voltage-gated calcium channel Cav1.1: A molecular dynamics study

Available to Purchase
Xinrui Jin, Hongguang Wang, Xiaofei Zhao, Chunliang Liu
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 165105 (2025)
https://doi.org/10.1063/5.0245391
Published: April 2025
View articletitled, Terahertz wave induces the structural and functional changes in voltage-gated calcium channel Cav1.1: A molecular dynamics study
Open the PDF for Terahertz wave induces the structural and functional changes in voltage-gated calcium channel Cav1.1: A molecular dynamics study in another window
Journal Articles

Photolysis of the peptide bond at 193 and 222 nm

Open Access
Nicholas Drachman, Jacob Vietorisz, Andrew J. Winchester, Robert Vest, Gregory A. Cooksey, Sujitra Pookpanratana, Derek Stein
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 165104 (2025)
https://doi.org/10.1063/5.0257551
Published: April 2025
View articletitled, Photolysis of the peptide bond at 193 and 222 nm
Open the PDF for Photolysis of the peptide bond at 193 and 222 nm in another window
Journal Articles

Probing exciton diffusion dynamics in photosynthetic supercomplexes via exciton–exciton annihilation

FeaturedOpen Access
Kunyan Zhang, Tsung-Yen Lee, Shiun-Jr Yang, Trisha Bhagde, Masakazu Iwai, Graham R. Fleming
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 164201 (2025)
https://doi.org/10.1063/5.0251771
Published: April 2025
View articletitled, Probing exciton diffusion dynamics in photosynthetic supercomplexes via exciton–exciton annihilation
Open the PDF for Probing exciton diffusion dynamics in photosynthetic supercomplexes via exciton–exciton annihilation in another window
Journal Articles

Deciphering ultrafast structural dynamics of the red Kaede chromophore in solution and a photoconvertible fluorescent protein

Available to Purchase
Taylor D. Krueger, Cheng Chen, Chong Fang
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 165103 (2025)
https://doi.org/10.1063/5.0268655
Published: April 2025
View articletitled, Deciphering ultrafast structural dynamics of the red Kaede chromophore in solution and a photoconvertible fluorescent protein
Open the PDF for Deciphering ultrafast structural dynamics of the red Kaede chromophore in solution and a photoconvertible fluorescent protein in another window
Journal Articles

Improved heteronuclear decoupling performance under fast MAS by Slightly Desynchronized Phase Alternated Cycles (SDPACs)

Available to Purchase
Andrea Simion, Matthias Ernst, Claudiu Filip
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 164106 (2025)
https://doi.org/10.1063/5.0259593
Published: April 2025
View articletitled, Improved heteronuclear decoupling performance under fast MAS by Slightly Desynchronized Phase Alternated Cycles (SDPACs)
Open the PDF for Improved heteronuclear decoupling performance under fast MAS by Slightly Desynchronized Phase Alternated Cycles (SDPACs) in another window
Journal Articles

Conformational equilibrium of aminoethanol in the gas phase and in solution driven by intra- and intermolecular interactions and solvent polarity

Available to Purchase
Ao You, Yuhui Li, Xinlang Yang, Hongyuan Shen, Yuanqin Yu, Xiaoguo Zhou, Rui Zhang, Shilin Liu
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 164309 (2025)
https://doi.org/10.1063/5.0259801
Published: April 2025
View articletitled, Conformational equilibrium of aminoethanol in the gas phase and in solution driven by intra- and intermolecular interactions and solvent polarity
Open the PDF for Conformational equilibrium of aminoethanol in the gas phase and in solution driven by intra- and intermolecular interactions and solvent polarity in another window
Journal Articles

Thermodynamic insights into polyelectrolyte complexation: A theoretical framework

Available to Purchase
Souradeep Ghosh
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 164904 (2025)
https://doi.org/10.1063/5.0250546
Published: April 2025
View articletitled, Thermodynamic insights into polyelectrolyte complexation: A theoretical framework
Open the PDF for Thermodynamic insights into polyelectrolyte complexation: A theoretical framework in another window
Journal Articles

Thermodynamics for reduced models of polymer aggregation based on maximum entropy principle

Available to Purchase
Xinyu Zhang, Haiyang Jia, Wuyue Yang, Liangrong Peng, Liu Hong
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 164901 (2025)
https://doi.org/10.1063/5.0252088
Published: April 2025
View articletitled, Thermodynamics for reduced models of polymer aggregation based on maximum entropy principle
Open the PDF for Thermodynamics for reduced models of polymer aggregation based on maximum entropy principle in another window
Journal Articles

Data efficient learning of molecular slow modes from nonequilibrium metadynamics

Available to Purchase
Jack Hanni, Dhiman Ray
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 164101 (2025)
https://doi.org/10.1063/5.0258483
Published: April 2025
View articletitled, Data efficient learning of molecular slow modes from nonequilibrium metadynamics
Open the PDF for Data efficient learning of molecular slow modes from nonequilibrium metadynamics in another window
Journal Articles

Conformational properties of active polar semiflexible phantom polymers

Available to Purchase
Roland G. Winkler
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 154903 (2025)
https://doi.org/10.1063/5.0260802
Published: April 2025
View articletitled, Conformational properties of active polar semiflexible phantom polymers
Open the PDF for Conformational properties of active polar semiflexible phantom polymers in another window
Journal Articles

Nonequilibrium dynamics of the helix–coil transition in polyalanine

Open Access
Maximilian Conradi, Henrik Christiansen, Suman Majumder, Fabio Müller, Wolfhard Janke
Journal: The Journal of Chemical Physics
J. Chem. Phys. 162, 154902 (2025)
https://doi.org/10.1063/5.0245056
Published: April 2025
View articletitled, Nonequilibrium dynamics of the helix–coil transition in polyalanine
Open the PDF for Nonequilibrium dynamics of the helix–coil transition in polyalanine in another window